LAMMPS Workshop and Symposium

August 1-3, 2017

The fifth LAMMPS Workshop and Symposium was held in Albuquerque, NM,
at the University of New Mexico (UNM) Continuing Education Building
(1634 University Blvd NE, map).

We thank the DOE/NNSA ASC program for financial support in hosting the
workshop. We also thank industrial partners
JSOL, Materials Design,
Inc., and
Scienomics for graciously providing
lunches, snacks, and drinks for the attendees. Here is more info on
the LAMMPS-related tools these sponsors create and
provide.

All the PDFs we receive for talks, posters, tutorials, and breakout
sessions will be posted below, for viewing or download.

Video of the main session talks should be accessible on-line in the
next few weeks. We will post the link here when it's available.

This is a hands-on tutorial for building complex initial structures
using EMC. If possible, participants should download and install EMC
(https://montecarlo.sourceforge.net)
and LAMMPS on their laptop beforehand, in order to maximize time
devoted to working with EMC.

Recreational actitivies

We held nice group dinners on Tuesday and Wednesday at the County Line
BBQ and Los Quates.

After dinner on Tues, we went on a tram-ride up to the top of Sandia
Crest (10500 ft).

After the workshop ended, we had two Thursday afternoon activities.

Hiking the Tree Spring Trail in the Sandia Mountains

Click for larger, downloadable versions of last two

For those who enjoy a pleasant hike, we will be walking up the Tree
Spring Trail, which is on the cooler, shadier east side of the Sandia
Mountains, 30-40 minutes from Albuquerque by car. We recommend
everyone car pool as much as possible for the drive up and back. From
the trailhead, the trail climbs approximately 1000 feet in 2 miles to
a point on the ridgeline of the Sandia mountains. After exploring and
admiring the views from the ridge, we'll return via the same
route. This hike is 'moderate' in difficulty and the pace will be
leisurely. The total walking distance (there and back) is
approximately 4 miles. The trail starts at 8500 feet above sea level,
going up to 9500 feet. The reduced fugacity of O2 will be somewhat
noticeable, but that will be more than compensated for by the cooler
temperatures. We don't know exactly how long the hike will last, but
a rough guess is three to four hours, including the drive.

Visit to the Old Town section of ABQ, which included the Rattlesnake
Musuem and some local history going back 300+ years.

Coporate sponsors

Here is more info on the companies who helped sponsor the workshop,
their LAMMPS-related products, and contact info for who will be at the
workshop. Two of the companies will also have display tables in the
lobby during the conference.

The JSOL Corporation has released the latest version of J-OCTA, v3.1,
in July 2017. In v3.1, various new features and enhancements, such as
new force field definitions and a force field optimizing
functionality, have been added. The usability of the interface has
been remarkably improved, an interface access to the job management
system has been added, and the platform has been enhanced. Please try
and explore the powerful and user-friendly J-OCTA v3.1 at our JSOL
booth at the LAMMPS Workshop and Symposium 2017.

Materials Design is the leading atomistic simulation software and
services company for materials. We help users across many diverse
disciplines improve existing materials, design new materials, predict
their properties, and generate value through innovation. MedeA-LAMMPS
fully automates the use of LAMMPS, and unlocks its power for both
experimental and theoretical groups seeking to increase their
productivity. MedeA combines LAMMPS with a sophisticated GUI,
databases, structure builders, and computation modules for tackling
complex structures and labor-intensive property extractions. In
addition, MedeA’s unique integration of ab initio and forcefield
methods enables users to model each step during the research life
cycle and allows them to understand the mechanism of physical
processes. High-throughput and high-fidelity modeling enabled by MedeA
provides guidance to screen large numbers of design options for
materials before committing to experiments saving resources, and
maximizing your productivity. Check out http://materialsdesign.com for
more details.

Stop by the Materials Design table and say hello to Dr. Ray Shan
(rshan at materialsdesign.com) and Dr. Naida Lacevic (nlacevic at
materialsdesign.com), who will be happy to answer any questions you
may have on our products.